(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide

C23H29N3O4 — CID 45165519

IUPAC(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C1(CC(=O)N2CCC[C@H]2C(N)=O)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C23H29N3O4/c1-15-7-2-5-10-17(15)23(13-19(27)25-12-6-11-18(25)21(24)29)14-20(28)26(22(23)30)16-8-3-4-9-16/h2,5,7,10,16,18H,3-4,6,8-9,11-14H2,1H3,(H2,24,29)/t18-,23?/m0/s1
InChIKeyCKYHYQNLUDHUHN-XNUZUHMRSA-N
MW411.50 g/mol
LogP1.80
Rot. Bonds5

About (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 45165519) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID45165519
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C1(CC(=O)N2CCC[C@H]2C(N)=O)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C23H29N3O4/c1-15-7-2-5-10-17(15)23(13-19(27)25-12-6-11-18(25)21(24)29)14-20(28)26(22(23)30)16-8-3-4-9-16/h2,5,7,10,16,18H,3-4,6,8-9,11-14H2,1H3,(H2,24,29)/t18-,23?/m0/s1
InChIKeyCKYHYQNLUDHUHN-XNUZUHMRSA-N
XLogP1.80
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-1-[2-[(3R)-1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26274347
(3S)-1-cyclopentyl-3-(2-methylphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42452625
methyl 2-[[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 45181307
(3S)-1-cyclopentyl-3-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 42482742
ethyl (3S)-1-[2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42343832
(3S)-1-cyclopentyl-3-(2-fluorophenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125168614
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 26281154
ethyl (2S)-1-[2-[(3S)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26338327
(3R)-1-benzyl-3-[2-[(2R)-2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42168504
3-(2-chlorophenyl)-1-cyclopentyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45181491
3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 45185282
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42169235

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide (CID 45165519) is (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide is Cc1ccccc1C1(CC(=O)N2CCC[C@H]2C(N)=O)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is CKYHYQNLUDHUHN-XNUZUHMRSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15-7-2-5-10-17(15)23(13-19(27)25-12-6-11-18(25)21(24)29)14-20(28)26(22(23)30)16-8-3-4-9-16/h2,5,7,10,16,18H,3-4,6,8-9,11-14H2,1H3,(H2,24,29)/t18-,23?/m0/s1.
What are the key properties of (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45165519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).